1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene

C16H17IO3 — CID 11143485

IUPAC1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
SMILESCOc1cc(I)c(OCc2ccccc2)c(C)c1OC
InChIInChI=1S/C16H17IO3/c1-11-15(20-10-12-7-5-4-6-8-12)13(17)9-14(18-2)16(11)19-3/h4-9H,10H2,1-3H3
InChIKeySOVHNUVKNPPKGR-UHFFFAOYSA-N
MW384.21 g/mol
LogP4.20
Rot. Bonds5

About 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene

1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene (PubChem CID 11143485) has the molecular formula C16H17IO3 and a molecular weight of 384.21 g/mol. Its IUPAC name is 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
PubChem CID11143485
Molecular FormulaC16H17IO3
Molecular Weight384.21 g/mol
Exact Mass384.02
IUPAC Name1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
SMILESCOc1cc(I)c(OCc2ccccc2)c(C)c1OC
InChIInChI=1S/C16H17IO3/c1-11-15(20-10-12-7-5-4-6-8-12)13(17)9-14(18-2)16(11)19-3/h4-9H,10H2,1-3H3
InChIKeySOVHNUVKNPPKGR-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
3-iodo-5-methoxy-4-phenylmethoxybenzoyl chloride
CID 91689903
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 53401732
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 2222138
N-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 176508013
1-iodo-4,5-dimethoxy-2,3-dimethylbenzene
CID 3257155
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
3-ethyl-2-iodo-5-methoxy-4-phenylmethoxybenzoic acid
CID 157224602
1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene
CID 71601620
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene (CID 11143485) is 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene is COc1cc(I)c(OCc2ccccc2)c(C)c1OC.
What is the InChIKey of 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene?
The InChIKey is SOVHNUVKNPPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO3/c1-11-15(20-10-12-7-5-4-6-8-12)13(17)9-14(18-2)16(11)19-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene?
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene has a molecular weight of 384.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 11143485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).